MICROSTRUCTURAL ANALYSIS OF SIMULATED NI33Y67 GLASS

Citation
Rg. Dellavalle et al., MICROSTRUCTURAL ANALYSIS OF SIMULATED NI33Y67 GLASS, Physical review. B, Condensed matter, 49(18), 1994, pp. 12625-12632
Citations number
39
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
0163-1829
Volume
49
Issue
18
Year of publication
1994
Pages
12625 - 12632
Database
ISI
SICI code
0163-1829(1994)49:18<12625:MAOSNG>2.0.ZU;2-J
Abstract
Molecular-dynamics and energy-minimization calculations with nonadditi ve Lennard-Jones interactions are used to investigate the microstructu re of amorphous Ni33Y67. The interaction parameters are mainly determi ned from structural data on crystalline Ni-Y alloys at several composi tions. The molecular dynamics results reproduce satisfactorily the neu tron-diffraction measurements on the glass. Analysis of Voronoi polyhe dra, radial, and angular distribution functions indicate that atomic c oordination in the glass resembles that of the crystalline species. Di storted NiY6 trigonal prisms constitute the most common coordination i n the simulated material.